DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL472128_dpp4

Atoms: 288
Models: 9
Best Energy: -8.283 kcal/mol

Binding Energies:
  • Pose 1: -8.283 kcal/mol
  • Pose 2: -7.681 kcal/mol
  • Pose 3: -7.491 kcal/mol
  • Pose 4: -7.312 kcal/mol
  • Pose 5: -7.248 kcal/mol
  • Pose 6: -7.199 kcal/mol
  • Pose 7: -7.07 kcal/mol
  • Pose 8: -6.983 kcal/mol
  • Pose 9: -6.839 kcal/mol
CHEMBL472128_dpp4
Energy Plot
RMSD Scatter Plot